SCHEMBL44187

SCHEMBL44187

N[C@@H](Cc1cn(N)cn1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
SLC7A5 Q01650 3/20 0.42
PKM P14618 2/20 0.42
ALPI P09923 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC1A3 P43003 1/20 0.41
TYR P14679 5/20 0.41
GRIA1 P42261 2/20 0.40
GRIA2 P42262 2/20 0.40
GRIA3 P42263 2/20 0.40
GRIA4 P48058 2/20 0.40
HSD17B10 Q99714 2/20 0.39
CYP3A4 P08684 2/20 0.39
CPB2 Q96IY4 3/20 0.39
USP2 O75604 2/20 0.39
RGS12 O14924 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27974517 0.84 CYP1A2 (0.46) CYP1A2SLC7A5PKMALPIPTGS1
SCHEMBL28173245 0.83 CYP3A4 (0.40) CYP1A2SLC7A5SLC1A3GRIA1GRIA2
SCHEMBL4727798 0.83 CYP1A2 (0.45) CYP1A2SLC7A5PKMALPIPTGS1
SCHEMBL60911 0.83 CYP1A2 (0.45) CYP1A2SLC7A5PKMALPIPTGS1
SCHEMBL14798187 0.83 CYP1A2 (0.45) CYP1A2SLC7A5PKMALPIPTGS1
SCHEMBL4726518 0.83 CYP1A2 (0.45) CYP1A2SLC7A5PKMALPIPTGS1
SCHEMBL1678922 0.81 CYP1A2 (0.44) CYP1A2SLC7A5PKMALPIPTGS1
Hydrochloric Acid SCHEMBL6697015 0.81 TYR (0.45) CYP1A2SLC7A5PKMALPIPTGS1
SCHEMBL7001068 0.81 SLC7A5 (0.44) CYP1A2SLC7A5PKMALPIPTGS1
SCHEMBL52215 0.81 CYP2C9 (0.47) CYP1A2SLC7A5PKMALPIPTGS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111413379-A Preparation method and application of chiral Ni-MOF/NiSR core-shell composite material 济南大学 2020-07-14 CN claimed
US-20240010735-A1 THERAPEUTIC PHARMACEUTICAL COMPOSITION FOR AMYOTROPHIC LATERAL SCLEROSIS EISAI R&D MANAGEMENT CO., LTD. (JP) 2024-01-11 US disclosed
WO-2023134771-A1 PHARMACEUTICAL COMPOSITION OF ANTI-CTLA-4 ANTIBODY AND USE THEREOF 上海君实生物医药科技股份有限公司 2023-07-20 WO disclosed
US-10941182-B2 Apelin polypeptides AMGEN INC. (US) 2021-03-09 US disclosed
CN-111413379-A Preparation method and application of chiral Ni-MOF/NiSR core-shell composite material 济南大学 2020-07-14 CN disclosed
CN-109562163-A Monoclonal antibodies specific to EGFL6 and methods of use thereof 得克萨斯大学体系董事会 2019-04-02 CN disclosed
US-20170107255-A1 APELIN POLYPEPTIDES AMGEN INC. (US) 2017-04-20 US disclosed
US-8946148-B2 Modified insulin polypeptides and their uses AMBRX, INC. (US) 2015-02-03 US disclosed
US-20120094297-A1 Method For Producing Protein UCB PHARMA S.A. (BE) 2012-04-19 US disclosed
US-20120034209-A1 Treatment QUEEN MARY & WESTFIELD COLLEGE (GB) 2012-02-09 US disclosed
WO-2011051349-A1 ANTIBODIES TO ION CHANNELS UCB PHARMA S.A. (BE) 2011-05-05 WO disclosed
WO-2011051350-A1 FUNCTION MODIFYING NAV 1.7 ANTIBODIES UCB PHARMA S.A. (BE) 2011-05-05 WO disclosed
EP-2314626-A1 Antibody molecules having specificity for human IL-6 UCB Pharma, S.A. (BE) 2011-04-27 EP disclosed
US-20110081350-A1 Synthetic scFv Analogue To The 6313/G2 (Anti Angiotensin II Type 1 Receptor) Monoclonal Antibody Variable Regions QUEEN MARY & WESTFIELD COLLEGE (GB) 2011-04-07 US disclosed
US-20110082080-A1 COMPOSITIONS AND METHODS OF USING THE HUMAN PROISLET PEPTIDE RECEPTOR CUREDM GROUP HOLDINGS, LLC (US) 2011-04-07 US disclosed
US-20110059088-A1 Protein involved in ovarian cancer Cell Tech R&D Limited 2011-03-10 US disclosed
US-7902154-B2 Pharmaceutical composition for alleviation and treatment of ischemic conditions and method for delivering the same FORHUMANTECH. CO., LTD. (KR) 2011-03-08 US disclosed
EP-2287193-A1 Antibody molecules having specificity for human IL-1 beta UCB Pharma, S.A. (BE) 2011-02-23 EP disclosed
US-7868134-B2 Immunogenic peptides derived from sclerostin UCB MANUFACTURING, INC. (US) 2011-01-11 US disclosed
US-20100298212-A1 Modified Insulin Polypeptides and Their Uses AMBRX, INC. (US) 2010-11-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100298212-A1 Modified Insulin Polypeptides and Their Uses IAPP, INSR, IGFBP4 CYP1A2 4819/4885SLC7A5 2951/4885PKM 1078/4885
US-20170107255-A1 APELIN POLYPEPTIDES APLNR, FABP3, AP3B1 CYP1A2 4736/4885SLC7A5 3758/4885PKM 4047/4885
US-10941182-B2 Apelin polypeptides APLNR, FABP3, AP3B1 CYP1A2 4736/4885SLC7A5 3758/4885PKM 4047/4885
US-20110082080-A1 COMPOSITIONS AND METHODS OF USING THE HUMAN PROISLET PEPTIDE RECEPTOR PROKR1, GIPR, IAPP CYP1A2 4885/4885SLC7A5 3593/4885PKM 4360/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.